Mol:FL2FEAGS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | 0.4814 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4814 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1941 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1941 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4846 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4846 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2014 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2014 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9140 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9140 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9104 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9104 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6303 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6303 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3429 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3429 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3393 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3393 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6230 1.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6230 1.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9931 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9931 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7091 0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7091 0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4220 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4220 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4188 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4188 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7028 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7028 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9899 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9899 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6314 -1.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6314 -1.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1440 0.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1440 0.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0747 2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0747 2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2014 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2014 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2323 -0.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2323 -0.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8158 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8158 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4032 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4032 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6048 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6048 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8113 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8113 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2239 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2239 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0223 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0223 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1793 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1793 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6591 1.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6591 1.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2990 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2990 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8518 0.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8518 0.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7763 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7763 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1963 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1963 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7856 -1.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7856 -1.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0202 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0202 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4321 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4321 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2560 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2560 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6685 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6685 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.4935 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4935 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.9060 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9060 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.4935 -2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4935 -2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6685 -2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6685 -2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.7299 -1.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.7299 -1.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7299 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7299 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
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− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
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− | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
− | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
− | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 19 44 1 0 0 0 0 | + | 19 44 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FEAGS0003 | + | ID FL2FEAGS0003 |
− | KNApSAcK_ID C00014342 | + | KNApSAcK_ID C00014342 |
− | NAME 4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside);5,6,7-Trihydroxy-4'-methoxyflavanone 7-(2-p-coumaroylglucoside) | + | NAME 4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside);5,6,7-Trihydroxy-4'-methoxyflavanone 7-(2-p-coumaroylglucoside) |
− | CAS_RN 292156-63-9 | + | CAS_RN 292156-63-9 |
− | FORMULA C31H30O13 | + | FORMULA C31H30O13 |
− | EXACTMASS 610.168641046 | + | EXACTMASS 610.168641046 |
− | AVERAGEMASS 610.5621 | + | AVERAGEMASS 610.5621 |
− | SMILES C(C(c(c5)ccc(c5)OC)4)C(c(c(O)1)c(O4)cc(OC(C2OC(=O)C=Cc(c3)ccc(c3)O)OC(C(C(O)2)O)CO)c1O)=O | + | SMILES C(C(c(c5)ccc(c5)OC)4)C(c(c(O)1)c(O4)cc(OC(C2OC(=O)C=Cc(c3)ccc(c3)O)OC(C(C(O)2)O)CO)c1O)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 0.4814 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 1.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9931 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7091 0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4188 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7028 2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 -1.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 0.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2323 -0.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 1.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 0.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7763 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7856 -1.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4935 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4935 -2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -2.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7299 -1.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 32 33 1 0 0 0 0 19 44 1 0 0 0 0 S SKP 8 ID FL2FEAGS0003 KNApSAcK_ID C00014342 NAME 4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside);5,6,7-Trihydroxy-4'-methoxyflavanone 7-(2-p-coumaroylglucoside) CAS_RN 292156-63-9 FORMULA C31H30O13 EXACTMASS 610.168641046 AVERAGEMASS 610.5621 SMILES C(C(c(c5)ccc(c5)OC)4)C(c(c(O)1)c(O4)cc(OC(C2OC(=O)C=Cc(c3)ccc(c3)O)OC(C(C(O)2)O)CO)c1O)=O M END